(4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxy-phenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxy-phenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxy-phenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-methoxy-4-pentoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-5-(4-amoxy-3-methoxy-phenyl)-4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-quinone Formula: C36H40N2O7S MolecularWeight: 644.777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=CC=C3)OCCCC)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCCCC)\O)/C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)OCC)OC

InChI

InChI=1S/C36H40N2O7S/c1-5-8-10-19-45-28-17-14-23(21-29(28)42-4)32-31(33(39)24-12-11-13-25(20-24)44-18-9-6-2)34(40)35(41)38(32)36-37-27-16-15-26(43-7-3)22-30(27)46-36/h11-17,20-22,32,39H,5-10,18-19H2,1-4H3/b33-31+